Geometry & MOs

Info

ID:	145713
PubChem CID:	53580950
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	344.04986
ΔH_f, kcal/mol:	-7.05
Dipole, Da:	2.08
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C#CCNC(=O)CNC(=O)NCC1=CN=C(C=C1)OC2=CC=CC=C2

DOS

IR

Vibrations